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1667-00-1 | Benzene, (cyclopropylmethyl)-
CAS No: 1667-00-1 Catalog No: AG001WWV MDL No:
Product Description
Catalog Number:
AG001WWV
Chemical Name:
Benzene, (cyclopropylmethyl)-
CAS Number:
1667-00-1
Molecular Formula:
C10H12
Molecular Weight:
132.2023
IUPAC Name:
cyclopropylmethylbenzene
InChI:
InChI=1S/C10H12/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,10H,6-8H2
InChI Key:
GUGXBRGATQTAFP-UHFFFAOYSA-N
SMILES:
C1CC1Cc1ccccc1
EC Number:
216-782-3
Properties
Complexity:
96.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.206g/mol
Monoisotopic Mass:
132.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| How does product isotope effect prove the operation of a two-state 'rebound' mechanism in C-H hydroxylation by cytochrome P450? | Journal of the American Chemical Society 20031029 |
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